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NCID-ZINC01560433

 MMsINC code: MMs02222847
Type: Neutral
Formula: C5H11O3PS
SMILES:   S=P1(OC(CO1)C)OCC
InChI:   InChI=1/C5H11O3PS/c1-3-6-9(10)7-4-5(2)8-9/h5H,3-4H2,1-2H3/t5-,9-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.7676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.18 g/mol  logS: -1.92248  SlogP: 1.6827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103446  Sterimol/B1: 2.48285  Sterimol/B2: 3.28303  Sterimol/B3: 3.55318
  Sterimol/B4: 5.44208  Sterimol/L: 11.904 
 
 Surface and Volume Properties
  Accessible surface: 363.421  Positive charged surface: 225.125  Negative charged surface: 138.295  Volume: 154.875
  Hydrophobic surface: 221.462  Hydrophilic surface: 141.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.